UCSF

ZINC44888534

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.03 -0.23 -40.84 2 8 -1 111 262.249 4
Hi High (pH 8-9.5) 1.03 0.78 -97.67 1 8 -2 114 261.241 4
Lo Low (pH 4.5-6) 1.03 0.02 -12 3 8 0 113 263.257 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )